SCHEMBL487161

SCHEMBL487161

CC(C)N(C)C(=O)c1cc(C(=O)N(C)c2ccc(CN3CCOCC3)cc2)c(O)cc1O

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.55
EPAS1 Q99814 1/20 0.55
HSP90AA1 P07900 13/20 0.53
HSP90AB1 P08238 11/20 0.53
HRH3 Q9Y5N1 1/20 0.43
PDK1 Q15118 2/20 0.42
MAPT P10636 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL487458 0.88 HSP90AA1 (0.56) HIF1AEPAS1HSP90AA1HSP90AB1PDK1
SCHEMBL1732990 0.77 HSP90AA1 (0.73) HSP90AA1HSP90AB1
SCHEMBL1733448 0.76 HSP90AA1 (0.71) HSP90AA1HSP90AB1
SCHEMBL21644605 0.76 HSP90AA1 (0.58) HSP90AA1HSP90AB1PDK1MAPT
SCHEMBL487686 0.75 HSP90AA1 (0.44) HSP90AA1HSP90AB1PDK1MAPT
SCHEMBL21644515 0.74 HSP90AA1 (0.58) HSP90AA1HSP90AB1PDK1MAPT
SCHEMBL1733632 0.74 HSP90AA1 (0.79) HSP90AA1HSP90AB1
SCHEMBL7220707 0.73 HIF1A (0.53) HIF1AEPAS1HSP90AA1HSP90AB1
SCHEMBL487466 0.73 HSP90AA1 (0.59) HSP90AA1HSP90AB1PDK1
SCHEMBL1733859 0.73 HSP90AA1 (0.80) HSP90AA1HSP90AB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106057-B2 Dihydroxyphenyl isoindolylmethanones ASTEX THERAPEUTICS, LTD. (GB) 2012-01-31 US disclosed
US-20100286167-A1 DIHYDROXYPHENYL ISOINDOLYLMETHANONES ASTEX THERAPEUTICS LTD. (GB) 2010-11-11 US disclosed
US-7754725-B2 Dihydroxyphenyl isoindolymethanones ASTEX THERAPEUTICS LTD. (GB) 2010-07-13 US disclosed
US-20070259886-A1 (2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(2-dimethylamino-ethoxy)-1,3-dihydro-isoindol-2-yl]-methanone; inhibits or modulates activity of heat shock protein Hsp90; useful for treating cancer, particularly hematopoietic tumors of lymphoid or myeloid lineage, prostate, lung, breast cancer, melanoma ASTEX THERAPEUTICS, LTD. (GB) 2007-11-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100286167-A1 DIHYDROXYPHENYL ISOINDOLYLMETHANONES HSP90AA1, HSP90AB1, HSP90AB2P HIF1A 242/4885EPAS1 916/4885HSP90AA1 1/4885
US-20070259886-A1 (2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(2-dimethylamino-ethoxy)-1,3-dihydro-isoindol-2-yl]-methanone; inhibits or modulates activity of heat shock protein Hsp90; useful for treating cancer, particularly hematopoietic tumors of lymphoid or myeloid lineage, prostate, lung, breast cancer, melanoma HSP90AB2P, HSP90AA1, HSP90AB1 HIF1A 1900/4885EPAS1 1082/4885HSP90AA1 2/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.